CID 5312877

5,8,12-trihydroxy-9-octadecenoic acid

Structural Information

Molecular Formula
C18H34O5
SMILES
CCCCCCC(C/C=C/C(CCC(CCCC(=O)O)O)O)O
InChI
InChI=1S/C18H34O5/c1-2-3-4-5-8-15(19)9-6-10-16(20)13-14-17(21)11-7-12-18(22)23/h6,10,15-17,19-21H,2-5,7-9,11-14H2,1H3,(H,22,23)/b10-6+
InChIKey
LGADJSRSYLFTSG-UXBLZVDNSA-N
Compound name
(E)-5,8,12-trihydroxyoctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.24063 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.24791 185.7
[M+Na]+ 353.22985 188.9
[M+NH4]+ 348.27445 194.8
[M+K]+ 369.20379 186.2
[M-H]- 329.23335 179.6
[M+Na-2H]- 351.21530 181.3
[M]+ 330.24008 183.6
[M]- 330.24118 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.